1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C24H26N6O2S — CID 59001228

IUPAC1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)NCc2ccncc2)nn3C(C)(C)C)cc1
InChIInChI=1S/C24H26N6O2S/c1-5-15-6-8-17(9-7-15)21(31)28-23-27-20-19(33-23)18(29-30(20)24(2,3)4)22(32)26-14-16-10-12-25-13-11-16/h6-13H,5,14H2,1-4H3,(H,26,32)(H,27,28,31)
InChIKeyKDNDVUOTWMDDKC-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.39
Rot. Bonds6

About 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 59001228) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID59001228
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)NCc2ccncc2)nn3C(C)(C)C)cc1
InChIInChI=1S/C24H26N6O2S/c1-5-15-6-8-17(9-7-15)21(31)28-23-27-20-19(33-23)18(29-30(20)24(2,3)4)22(32)26-14-16-10-12-25-13-11-16/h6-13H,5,14H2,1-4H3,(H,26,32)(H,27,28,31)
InChIKeyKDNDVUOTWMDDKC-UHFFFAOYSA-N
XLogP4.39
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 59001228) is 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is CCc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)NCc2ccncc2)nn3C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is KDNDVUOTWMDDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-5-15-6-8-17(9-7-15)21(31)28-23-27-20-19(33-23)18(29-30(20)24(2,3)4)22(32)26-14-16-10-12-25-13-11-16/h6-13H,5,14H2,1-4H3,(H,26,32)(H,27,28,31).
What are the key properties of 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-[(4-ethylbenzoyl)amino]-N-(pyridin-4-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 59001228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).